Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
| ▸ | FAP | Q12884 | 1/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.40 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30085015 | 0.80 | SLC7A5 (0.47) | HSD11B1CES2CES1DPP4DPP8 | |
| SCHEMBL30150927 | 0.79 | PTGS1 (0.43) | HSD11B1CES2CES1ALDH1A1TSHR | |
| SCHEMBL17688564 | 0.78 | NAAA (0.49) | DPP4FAPDPP8DPP9DPP7 | |
| SCHEMBL28843002 | 0.78 | NAAA (0.49) | DPP4FAPDPP8DPP9DPP7 | |
| SCHEMBL29634987 | 0.78 | ALDH1A1 (0.47) | HSD11B1CES2CES1DPP4ALDH1A1 | |
| SCHEMBL30526382 | 0.78 | GRIK1 (0.40) | HSD11B1CES2CES1DPP4DPP8 | |
| SCHEMBL30882711 | 0.78 | DPP7 (0.46) | HSD11B1CES2CES1DPP4FAP | |
| SCHEMBL8503056 | 0.77 | SHBG (0.38) | HSD11B1CES2CES1DPP4FAP | |
| SCHEMBL3449442 | 0.77 | EPHX2 (0.42) | HSD11B1CES2CES1ALDH1A1EPHX1 | |
| SCHEMBL8224071 | 0.77 | EPHX2 (0.42) | HSD11B1CES2CES1ALDH1A1EPHX1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1776349-B1 | 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) | JANSSEN PHARMACEUTICA NV (BE) | 2010-10-06 | — | — | EP | claimed |